6-chloro-2-methyl-4-phenyl-3-(2-phenylethyl)-4H-quinazoline

C23H21ClN2 — CID 54757707

IUPAC6-chloro-2-methyl-4-phenyl-3-(2-phenylethyl)-4H-quinazoline
SMILESCC1=Nc2ccc(Cl)cc2C(c2ccccc2)N1CCc1ccccc1
InChIInChI=1S/C23H21ClN2/c1-17-25-22-13-12-20(24)16-21(22)23(19-10-6-3-7-11-19)26(17)15-14-18-8-4-2-5-9-18/h2-13,16,23H,14-15H2,1H3
InChIKeyGUCMRSUQSKLWCK-UHFFFAOYSA-N
MW360.89 g/mol
LogP6.04
Rot. Bonds4

About 6-chloro-2-methyl-4-phenyl-3-(2-phenylethyl)-4H-quinazoline

6-chloro-2-methyl-4-phenyl-3-(2-phenylethyl)-4H-quinazoline (PubChem CID 54757707) has the molecular formula C23H21ClN2 and a molecular weight of 360.89 g/mol. Its IUPAC name is 6-chloro-2-methyl-4-phenyl-3-(2-phenylethyl)-4H-quinazoline.

Molecular Properties

Compound Name6-chloro-2-methyl-4-phenyl-3-(2-phenylethyl)-4H-quinazoline
PubChem CID54757707
Molecular FormulaC23H21ClN2
Molecular Weight360.89 g/mol
Exact Mass360.14
IUPAC Name6-chloro-2-methyl-4-phenyl-3-(2-phenylethyl)-4H-quinazoline
SMILESCC1=Nc2ccc(Cl)cc2C(c2ccccc2)N1CCc1ccccc1
InChIInChI=1S/C23H21ClN2/c1-17-25-22-13-12-20(24)16-21(22)23(19-10-6-3-7-11-19)26(17)15-14-18-8-4-2-5-9-18/h2-13,16,23H,14-15H2,1H3
InChIKeyGUCMRSUQSKLWCK-UHFFFAOYSA-N
XLogP6.04
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.89
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-4-phenyl-3-(2-phenylethyl)-4H-quinazoline?
The IUPAC name of 6-chloro-2-methyl-4-phenyl-3-(2-phenylethyl)-4H-quinazoline (CID 54757707) is 6-chloro-2-methyl-4-phenyl-3-(2-phenylethyl)-4H-quinazoline.
What is the SMILES notation for 6-chloro-2-methyl-4-phenyl-3-(2-phenylethyl)-4H-quinazoline?
The canonical SMILES for 6-chloro-2-methyl-4-phenyl-3-(2-phenylethyl)-4H-quinazoline is CC1=Nc2ccc(Cl)cc2C(c2ccccc2)N1CCc1ccccc1.
What is the InChIKey of 6-chloro-2-methyl-4-phenyl-3-(2-phenylethyl)-4H-quinazoline?
The InChIKey is GUCMRSUQSKLWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2/c1-17-25-22-13-12-20(24)16-21(22)23(19-10-6-3-7-11-19)26(17)15-14-18-8-4-2-5-9-18/h2-13,16,23H,14-15H2,1H3.
What are the key properties of 6-chloro-2-methyl-4-phenyl-3-(2-phenylethyl)-4H-quinazoline?
6-chloro-2-methyl-4-phenyl-3-(2-phenylethyl)-4H-quinazoline has a molecular weight of 360.89 g/mol, XLogP of 6.04, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methyl-4-phenyl-3-(2-phenylethyl)-4H-quinazoline is sourced from PubChem (CID 54757707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).